CID 57457056

3-(1h-1,2,3,4-tetrazol-5-yl)-9h-carbazole

Structural Information

Molecular Formula
C13H9N5
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C4=NNN=N4
InChI
InChI=1S/C13H9N5/c1-2-4-11-9(3-1)10-7-8(5-6-12(10)14-11)13-15-17-18-16-13/h1-7,14H,(H,15,16,17,18)
InChIKey
OVCSGPMGIWTXPD-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-yl)-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

235.0858 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09308 149.5
[M+Na]+ 258.07502 162.4
[M-H]- 234.07852 150.9
[M+NH4]+ 253.11962 164.9
[M+K]+ 274.04896 154.8
[M+H-H2O]+ 218.08306 140.3
[M+HCOO]- 280.08400 168.6
[M+CH3COO]- 294.09965 161.6
[M+Na-2H]- 256.06047 157.3
[M]+ 235.08525 150.3
[M]- 235.08635 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe